2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C10H23NO — CID 65249148

IUPAC2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCC(C)(CN)CCOC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)12-7-6-10(4,5)8-11/h6-8,11H2,1-5H3
InChIKeyHYGLWTOGXVZGPN-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds4

About 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 65249148) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID65249148
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCC(C)(CN)CCOC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)12-7-6-10(4,5)8-11/h6-8,11H2,1-5H3
InChIKeyHYGLWTOGXVZGPN-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-2,2-dimethylbutan-1-amine
CID 62739589
4-Methoxy-3,3-dimethylbutan-1-amine
CID 55291359
2-(1-((Tert-butoxy)methyl)cyclopropyl)ethan-1-amine
CID 65497519
4-(Tert-butoxy)butan-1-amine hydrochloride
CID 138987565
5-(2,3,3-Trimethylbutan-2-yloxy)pentan-2-ylazanium
CID 163676063
4-(Tert-butoxy)butan-1-amine
CID 18672802
5-(2,3,3-Trimethylbutan-2-yloxy)pentan-2-amine
CID 163676064
2,2-Dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine
CID 66274994
4-(2-Methylbutan-2-yloxy)butan-1-amine
CID 33787994
N,2,2-trimethyl-4-propan-2-yloxybutan-1-amine
CID 62723720
4-Ethoxy-2,2-dimethylbutan-1-amine
CID 62739742
2-(3,3-Dimethylbutoxy)-2-methylpropan-1-amine
CID 65053057

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 65249148) is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CC(C)(CN)CCOC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is HYGLWTOGXVZGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2,3)12-7-6-10(4,5)8-11/h6-8,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 65249148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).